SCHEMBL30739717

SCHEMBL30739717

C=Cc1cc(NC(=O)c2ccccc2)c(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
SNCA P37840 1/20 0.47
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
GRIK1 P39086 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCB1 P08183 1/20 0.46
MAPK14 Q16539 1/20 0.46
HPGD P15428 2/20 0.44
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21178187 0.82 HDAC1 (0.64) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739898 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739845 0.79 HDAC2 (0.56) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739780 0.79 NPC1 (0.68) RAB9ANPC1MEN1KMT2ASNCA
SCHEMBL27664630 0.78 SNCA (0.57) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL6782460 0.77 HDAC1 (0.68) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739897 0.77 HDAC1 (0.48) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739767 0.75 RAB9A (0.57) RAB9ANPC1MEN1KMT2ASNCA
SCHEMBL30739953 0.75 HDAC1 (0.55) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28316752 0.75 HDAC1 (0.55) HDAC1HDAC8HDAC6RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed